Geometry & MOs

Info

ID:	226466
PubChem CID:	87457439
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	400.023373
ΔH_f, kcal/mol:	16.04
Dipole, Da:	4.59
IP(EA), eV:	-8.38(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=S)CC=C2N)O

DOS

IR

Vibrations